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3-(3-Benzoxy-4-methoxy-phenyl)-2,3-dihydro-1,4-benzoxathiin

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-(3-Benzoxy-4-methoxy-phenyl)-2,3-dihydro-1,4-benzoxathiin
SpectraBase Compound ID 8HyeJyK5fra
InChI InChI=1S/C22H20O3S/c1-23-18-12-11-17(13-20(18)24-14-16-7-3-2-4-8-16)22-15-25-19-9-5-6-10-21(19)26-22/h2-13,22H,14-15H2,1H3
InChIKey PYVONUHYXSBPHS-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C22H20O3S
Exact Mass 364.113316 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3fqRdAZKDWs
Name 3-(3-Benzoxy-4-methoxy-phenyl)-2,3-dihydro-1,4-benzoxathiin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.113315675 u
Formula C22H20O3S
InChI InChI=1S/C22H20O3S/c1-23-18-12-11-17(13-20(18)24-14-16-7-3-2-4-8-16)22-15-25-19-9-5-6-10-21(19)26-22/h2-13,22H,14-15H2,1H3
InChIKey PYVONUHYXSBPHS-UHFFFAOYSA-N
Molecular Weight 364.459 g/mol
SMILES C1(SC=2C(OC1)=CC=CC2)C=1C=C(OCC=2C=CC=CC2)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92417